2-(1-Methyl-3-indolyl)acetonitrile - CAS 51584-17-9
Catalog: |
BB027502 |
Product Name: |
2-(1-Methyl-3-indolyl)acetonitrile |
CAS: |
51584-17-9 |
Synonyms: |
2-(1-methyl-3-indolyl)acetonitrile; 2-(1-methylindol-3-yl)acetonitrile |
IUPAC Name: | 2-(1-methylindol-3-yl)acetonitrile |
Description: | 2-(1-Methyl-3-indolyl)acetonitrile (CAS# 51584-17-9) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C11H10N2 |
Canonical SMILES: | CN1C=C(C2=CC=CC=C21)CC#N |
InChI: | InChI=1S/C11H10N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3 |
InChI Key: | DHAXZZYQEUESTH-UHFFFAOYSA-N |
Boiling Point: | 354.5 ℃ at 760 mmHg |
Density: | 1.06 g/cm3 |
LogP: | 2.24438 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2013109699-A1 | Tetrahydrocarboline derivative | 20100706 |
US-2015231118-A1 | Tetrahydrocarboline derivative | 20100706 |
US-2017189386-A1 | Tetrahydrocarboline derivative | 20100706 |
US-9006246-B2 | Tetrahydrocarboline derivative | 20100706 |
US-9636330-B2 | Tetrahydrocarboline derivative | 20100706 |
PMID | Publication Date | Title | Journal |
21583469 | 20090704 | 1,3-Dimethyl-1H-indole-2-carbonitrile | Acta crystallographica. Section E, Structure reports online |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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